3-[2-[[2-(1H-indol-3-yl)ethylamino]methyl]cyclopropyl]-1H-indole-5-carbonitrile

C23H22N4 — CID 10155105

IUPAC3-[2-[[2-(1H-indol-3-yl)ethylamino]methyl]cyclopropyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(C3CC3CNCCc3c[nH]c4ccccc34)c2c1
InChIInChI=1S/C23H22N4/c24-11-15-5-6-23-20(9-15)21(14-27-23)19-10-17(19)12-25-8-7-16-13-26-22-4-2-1-3-18(16)22/h1-6,9,13-14,17,19,25-27H,7-8,10,12H2
InChIKeySFJIITPEHFLLPT-UHFFFAOYSA-N
MW354.46 g/mol
LogP4.46
Rot. Bonds6

About 3-[2-[[2-(1H-indol-3-yl)ethylamino]methyl]cyclopropyl]-1H-indole-5-carbonitrile

3-[2-[[2-(1H-indol-3-yl)ethylamino]methyl]cyclopropyl]-1H-indole-5-carbonitrile (PubChem CID 10155105) has the molecular formula C23H22N4 and a molecular weight of 354.46 g/mol. Its IUPAC name is 3-[2-[[2-(1H-indol-3-yl)ethylamino]methyl]cyclopropyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[2-[[2-(1H-indol-3-yl)ethylamino]methyl]cyclopropyl]-1H-indole-5-carbonitrile
PubChem CID10155105
Molecular FormulaC23H22N4
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC Name3-[2-[[2-(1H-indol-3-yl)ethylamino]methyl]cyclopropyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(C3CC3CNCCc3c[nH]c4ccccc34)c2c1
InChIInChI=1S/C23H22N4/c24-11-15-5-6-23-20(9-15)21(14-27-23)19-10-17(19)12-25-8-7-16-13-26-22-4-2-1-3-18(16)22/h1-6,9,13-14,17,19,25-27H,7-8,10,12H2
InChIKeySFJIITPEHFLLPT-UHFFFAOYSA-N
XLogP4.46
TPSA67.40 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-[3-(ethylamino)propyl]cyclopropyl]-1H-indole-5-carbonitrile
CID 22638830
N-[[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 23519043
2-(1H-indol-3-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632947
2-(1H-indol-3-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386648
N-[[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]methyl]-3-phenylpropan-1-amine
CID 23519053
1-[[(1R,2R)-2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl]-1-ethyl-3-[2-(ethylamino)ethyl]urea
CID 91128733
2-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 78914442
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1H-indol-3-yl)ethanamine
CID 62065957
N-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutan-1-amine
CID 22638713
N-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 23519034
propyl N-[2-[[2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl-methylamino]ethyl]carbamate
CID 142174176
3-[2-[1-(dimethylamino)ethyl]cyclopropyl]-1H-indole-5-carbonitrile
CID 22638732

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-(1H-indol-3-yl)ethylamino]methyl]cyclopropyl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[2-[[2-(1H-indol-3-yl)ethylamino]methyl]cyclopropyl]-1H-indole-5-carbonitrile (CID 10155105) is 3-[2-[[2-(1H-indol-3-yl)ethylamino]methyl]cyclopropyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[2-[[2-(1H-indol-3-yl)ethylamino]methyl]cyclopropyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[2-[[2-(1H-indol-3-yl)ethylamino]methyl]cyclopropyl]-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]cc(C3CC3CNCCc3c[nH]c4ccccc34)c2c1.
What is the InChIKey of 3-[2-[[2-(1H-indol-3-yl)ethylamino]methyl]cyclopropyl]-1H-indole-5-carbonitrile?
The InChIKey is SFJIITPEHFLLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4/c24-11-15-5-6-23-20(9-15)21(14-27-23)19-10-17(19)12-25-8-7-16-13-26-22-4-2-1-3-18(16)22/h1-6,9,13-14,17,19,25-27H,7-8,10,12H2.
What are the key properties of 3-[2-[[2-(1H-indol-3-yl)ethylamino]methyl]cyclopropyl]-1H-indole-5-carbonitrile?
3-[2-[[2-(1H-indol-3-yl)ethylamino]methyl]cyclopropyl]-1H-indole-5-carbonitrile has a molecular weight of 354.46 g/mol, XLogP of 4.46, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-(1H-indol-3-yl)ethylamino]methyl]cyclopropyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 10155105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).